1-methyl-5-thiophen-2-ylindole-2,3-dione

C13H9NO2S — CID 132599884

IUPAC1-methyl-5-thiophen-2-ylindole-2,3-dione
SMILESCN1C(=O)C(=O)c2cc(-c3cccs3)ccc21
InChIInChI=1S/C13H9NO2S/c1-14-10-5-4-8(11-3-2-6-17-11)7-9(10)12(15)13(14)16/h2-7H,1H3
InChIKeyAXJZJELQIIUJQW-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.57
Rot. Bonds1

About 1-methyl-5-thiophen-2-ylindole-2,3-dione

1-methyl-5-thiophen-2-ylindole-2,3-dione (PubChem CID 132599884) has the molecular formula C13H9NO2S and a molecular weight of 243.29 g/mol. Its IUPAC name is 1-methyl-5-thiophen-2-ylindole-2,3-dione.

Molecular Properties

Compound Name1-methyl-5-thiophen-2-ylindole-2,3-dione
PubChem CID132599884
Molecular FormulaC13H9NO2S
Molecular Weight243.29 g/mol
Exact Mass243.04
IUPAC Name1-methyl-5-thiophen-2-ylindole-2,3-dione
SMILESCN1C(=O)C(=O)c2cc(-c3cccs3)ccc21
InChIInChI=1S/C13H9NO2S/c1-14-10-5-4-8(11-3-2-6-17-11)7-9(10)12(15)13(14)16/h2-7H,1H3
InChIKeyAXJZJELQIIUJQW-UHFFFAOYSA-N
XLogP2.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-thiophen-2-ylindole-2,3-dione?
The IUPAC name of 1-methyl-5-thiophen-2-ylindole-2,3-dione (CID 132599884) is 1-methyl-5-thiophen-2-ylindole-2,3-dione.
What is the SMILES notation for 1-methyl-5-thiophen-2-ylindole-2,3-dione?
The canonical SMILES for 1-methyl-5-thiophen-2-ylindole-2,3-dione is CN1C(=O)C(=O)c2cc(-c3cccs3)ccc21.
What is the InChIKey of 1-methyl-5-thiophen-2-ylindole-2,3-dione?
The InChIKey is AXJZJELQIIUJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2S/c1-14-10-5-4-8(11-3-2-6-17-11)7-9(10)12(15)13(14)16/h2-7H,1H3.
What are the key properties of 1-methyl-5-thiophen-2-ylindole-2,3-dione?
1-methyl-5-thiophen-2-ylindole-2,3-dione has a molecular weight of 243.29 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-thiophen-2-ylindole-2,3-dione is sourced from PubChem (CID 132599884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).